2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorobenzyl)sulfonyl-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H20ClN3O5S MolecularWeight: 437.8972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O5S/c20-16-3-1-15(2-4-16)13-29(27,28)14-19(24)22-11-9-21(10-12-22)17-5-7-18(8-6-17)23(25)26/h1-8H,9-14H2